1,2,3,4-tetramethoxy-5-methylbenzene

• ChemBase ID: 293787
• Molecular Formular: C11H16O4
• Molecular Mass: 212.24234
• Monoisotopic Mass: 212.10485899
• SMILES: Cc1cc(OC)c(OC)c(OC)c1OC
• Canonical SMILES: COc1cc(C)c(c(c1OC)OC)OC
• InChI: InChI=1S/C11H16O4/c1-7-6-8(12-2)10(14-4)11(15-5)9(7)13-3/h6H,1-5H3
• InChIKey: OIWAVVSMXFIBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetramethoxy-5-methylbenzene
• IUPAC Traditional name: 1,2,3,4-tetramethoxy-5-methylbenzene
• Synonyms: 1,2,3,4-Tetramethoxy-5-methylbenzene

Database IDs

• CAS Number: 35896-58-3
• MDL Number: MFCD07370118
• PubChem SID: 180679318
• PubChem CID: 9877764

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8559822
• LogD (pH = 7.4): 1.8559822
• Log P: 1.8559822
• Molar Refractivity: 56.952 cm^3
• Polarizability: 22.186514 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%